Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | METAP1 | P53582 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14550752 | 0.83 | AKR1B1 (0.37) | AKR1B1ALDH1A1GALR3GAAS100A4 | |
| SCHEMBL7349533 | 0.80 | AKR1B1 (0.37) | AKR1B1ALDH1A1GALR3S100A4TRPV1 | |
| Hydrochloric Acid SCHEMBL2839862 | 0.79 | AKR1B1 (0.36) | AKR1B1ALDH1A1GALR3S100A4TRPV1 | |
| SCHEMBL7346699 | 0.79 | ERN1 (0.36) | AKR1B1ALDH1A1S100A4TRPV1ERN1 | |
| SCHEMBL2840941 | 0.76 | ALDH1A1 (0.33) | AKR1B1ALDH1A1GAAS100A4TRPV1 | |
| SCHEMBL7346523 | 0.75 | AKR1B1 (0.36) | AKR1B1ALDH1A1GALR3GAAS100A4 | |
| SCHEMBL2843494 | 0.74 | GPR35 (0.34) | AKR1B1ALDH1A1S100A4TRPV1ERN1 | |
| SCHEMBL2843497 | 0.74 | GPR35 (0.34) | AKR1B1ALDH1A1S100A4TRPV1ERN1 | |
| SCHEMBL13090518 | 0.72 | AKR1B1 (0.37) | AKR1B1ALDH1A1S100A4TRPV1ERN1 | |
| SCHEMBL1119381 | 0.71 | CYP11B1 (0.54) | AKR1B1ALDH1A1S100A4TRPV1ERN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5436240-A | Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines | THE UPJOHN COMPANY (US) | 1995-07-25 | — | — | US | disclosed |
| EP-0480939-B1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | UPJOHN CO (US) | 1995-01-25 | — | — | EP | disclosed |
| US-5273975-A | Heterocyclic amines having central nervous system activity | THE UPJOHN COMPANY (US) | 1993-12-28 | — | — | US | disclosed |
| WO-1990015058-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-12-13 | — | — | WO | disclosed |